(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C15H13ClN2O4S MolecularWeight: 352.79272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C15H13ClN2O4S/c1-2-3-17-15-18-11(7-23-15)14(19)20-6-9-4-10(16)13-12(5-9)21-8-22-13/h2,4-5,7H,1,3,6,8H2,(H,17,18)